Given the broad applicability of carbazole structural moieties in materials science and medicinal chemistry,significant efforts have been devoted to developing efficient synthetic catalytic methodologies to access thi...Given the broad applicability of carbazole structural moieties in materials science and medicinal chemistry,significant efforts have been devoted to developing efficient synthetic catalytic methodologies to access this valuable scaffold.Catalyzed direct Csp^(2)-H functionalization provides an effective and costefficient approach to synthesizing carbazoles from simple and readily available starting materials,ensuring a promising path characterized by excellent atom and step economy.This review highlights the substantial progress made in the last 10 years in advancing catalytic Csp^(2)-H functionalization techniques for synthesizing carbazoles.展开更多
In the words of the late Sir Colin Blakemore,neurologists have historically sought to infer brain functions in a manner akin to to king a hammer to a computeranalyzing localized anatomical lesions caused by trauma,tum...In the words of the late Sir Colin Blakemore,neurologists have historically sought to infer brain functions in a manner akin to to king a hammer to a computeranalyzing localized anatomical lesions caused by trauma,tumors,or strokes,noting deficits,and inferring what functions certain brain regions may be responsible for.This approach exemplifies a deletion heuristic,where the absence of a specific function reveals insights about the underlying structures or mechanisms responsible for it.By observing what is lost when a particular brain region is damaged,throughout the history of the field,neurologists have pieced together the intricate relationship between anatomy and function.展开更多
Amorphous materials represent a promising platform for advancing CO_(2)electrochemical reduction due to their inherently diverse coordination environments.In this study,we demonstrate computationally the superior perf...Amorphous materials represent a promising platform for advancing CO_(2)electrochemical reduction due to their inherently diverse coordination environments.In this study,we demonstrate computationally the superior performance of amorphous CuNi alloys for CO_(2)electrochemical reduction.By integrating machine learning forcefields for efficient structure generation and density functional theory for subsequent structural refinement and property calculations,we reveal the potential of these disordered systems to outperform their crystalline counterparts.Machine learning forcefields can generate a bulk structure containing a mixture of Cu and Ni atoms,resulting in enhanced catalytic performance.Effective screening of the amorphous surfaces is used to identify undercoordinated Cu and Ni sites in the amorphous structure to synergistically promote selective CO production and favor ethanol formation over ethylene via the stabilization of the*COCHO intermediate,resulting in significantly lower Gibbs free energy changes compared to the crystalline counterpart.The varying atomic coordination environments on amorphous surfaces promote both C–C bond formation and subsequent proton-electron transfer,leading to ethanol formation.These findings demonstrate the superior catalytic performance of amorphous CuNi,highlighting its potential for efficient and selective electroreduction of CO_(2).展开更多
Cu_(x)Ta_(2-x)O_(5) compositions were investigated for advanced thermoelectric and optical applications,using both simulations and experimental approaches.Density functional theory calculations were performed before t...Cu_(x)Ta_(2-x)O_(5) compositions were investigated for advanced thermoelectric and optical applications,using both simulations and experimental approaches.Density functional theory calculations were performed before the experimental observations to predict the trends of various parameters.Crystal structure analysis confirmed the presence of the orthorhombic Ta_(2)O_(5) phase in all the compositions.The composition and morphology demonstrated impurity-free contents with uniform and crack-free surfaces.Thermoelectric analysis depicted a decrease in Seebeck coefficient from 3.66??V·K^(-1)to 1.91??V·K^(-1)and an increase in the value of specific heat from 0.73 J·K^(-1)·kg^(-1)to 11.6 J·K^(-1)·kg^(-1)upon Cu incorporation in structure.The bandgap was found to reduce from 2.61 to 1.38 e V with Cu-induced electronic states.The real epsilon and static refractive index increased from 3.75 to 4.57 and from 1.93 to 2.11,respectively,with increment in Cu content.The enhanced parameters,focusing on the thermoelectric and optical responses,make these compositions potential candidates for advanced optoelectronic applications.展开更多
The utilization of solid wastes to prepare Li_(4)SiO_(4) based CO_(2) adsorbents and thermochemical energy storage(TES)materials has recently garnered significant interest.Considering practical application conditions,...The utilization of solid wastes to prepare Li_(4)SiO_(4) based CO_(2) adsorbents and thermochemical energy storage(TES)materials has recently garnered significant interest.Considering practical application conditions,the influence of CO_(2) concentration and temperature fluctuations on adsorbent performance remains a key research focus.Among various waste materials,waste clay bricks are particularly suitable for Li_(4)SiO_(4) synthesis due to their high SiO_(2) content(60% to 70%),while enabling waste valorization.Furthermore,it has been demonstrated that heteroatoms present in the waste materials positively in-fluence the CO_(2) adsorption performance of Li_(4)SiO_(4)-based adsorbents.In this study,Li_(4)SiO_(4) was syn thesized for the first time directly from waste clay bricks without pretreatment.Comprehensive characterization revealed that the resulting Li_(4)SiO_(4)-based adsorbent exhibits outstanding performance:a high CO_(2) capture capacity(27.9%(mass)),excellent cycling stability,and remarkable thermal energy storage capability(876.4 kJ·kg^(-1)).These superior properties position it as one of the most promising high-temperature adsorbents for simultaneous CO_(2) capture and thermal energy storage(TES)from fossil fuel flue gase.Moreover,the adsorbent maintained excellent stability under fluctuating temper-ature and CO_(2) concentration.Even at 20%(vol)CO_(2) and 500℃,it achieved a high capacity of 25.7%(mass),reaching equilibrium within 15 min.This CO_(2) capture performance is truly impressive.展开更多
Neural stem cells(NSCs)have the potential for self-renewal and multidirectional differentiation,and their transplantation has achieved good efficacy in a variety of diseases.However,only 1%-10%of transplanted NSCs sur...Neural stem cells(NSCs)have the potential for self-renewal and multidirectional differentiation,and their transplantation has achieved good efficacy in a variety of diseases.However,only 1%-10%of transplanted NSCs survive in the ischemic and hypoxic microenvironment of posthemorrhagic hydrocephalus.^(Sox2)is an important factor for NSCs to maintain proliferation.Therefore,^(Sox2)-overexpressing NSCs(NSC^(Sox2))may be more successful in improving neurological dysfunction after posthemorrhagic hydrocephalus.In this study,human NSC^(Sox2)was transplanted into a posthemorrhagic hydrocephalus mouse model,and retinoic acid was administered to further promote NSC differentiation.The results showed that NSC^(Sox2)attenuated the ventricular enlargement caused by posthemorrhagic hydrocephalus and improved neurological function.NSC^(Sox2)also promoted nerve regeneration,inhibited neuroinflammation and promoted M2 polarization(anti-inflammatory phenotype),thereby reducing cerebrospinal fluid secretion in choroid plexus.These findings suggest that NSC^(Sox2)rescued ventricular enlargement and neurological dysfunction induced by posthemorrhagic hydrocephalus through neural regeneration and modulation of inflammation.展开更多
基金support and funding by the European Union-Next Generation EU under the Italian Ministry of University and Research (MUR) National Innovation Ecosystem (No.ECS00000041-VITALITY and also “Ecosistema TECH4YOU-(Spoke 3-Goal 3.5)MUR is thanked for PRIN-PNRR 2022 project "P2022XKWH7-Circular Waste+3 种基金The University of Perugia is acknowledged for financial support to the university project “Fondo Ricerca di Ateneo,edizione 2022”The National Ph D program in Catalysis coordinated by the University of Perugia is also thankedthe financial supports of key research and development and technology transfer projects of Inner Mongolia Autonomous Region (No.2025KJHZ0008)major special projects of science and technology of Ordos (No.2022EEDSKJZDZX003)。
文摘Given the broad applicability of carbazole structural moieties in materials science and medicinal chemistry,significant efforts have been devoted to developing efficient synthetic catalytic methodologies to access this valuable scaffold.Catalyzed direct Csp^(2)-H functionalization provides an effective and costefficient approach to synthesizing carbazoles from simple and readily available starting materials,ensuring a promising path characterized by excellent atom and step economy.This review highlights the substantial progress made in the last 10 years in advancing catalytic Csp^(2)-H functionalization techniques for synthesizing carbazoles.
文摘In the words of the late Sir Colin Blakemore,neurologists have historically sought to infer brain functions in a manner akin to to king a hammer to a computeranalyzing localized anatomical lesions caused by trauma,tumors,or strokes,noting deficits,and inferring what functions certain brain regions may be responsible for.This approach exemplifies a deletion heuristic,where the absence of a specific function reveals insights about the underlying structures or mechanisms responsible for it.By observing what is lost when a particular brain region is damaged,throughout the history of the field,neurologists have pieced together the intricate relationship between anatomy and function.
基金partially funded by EPSRC (EP/T022213/1, EP/W032260/1 and EP/P020194/1) via our membership of the UK’s HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202)part of the “Advancing Solid Interface and Lubricants by First Principles Material Design (SLIDE)” project that has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (Grant agreement No. 865633)
文摘Amorphous materials represent a promising platform for advancing CO_(2)electrochemical reduction due to their inherently diverse coordination environments.In this study,we demonstrate computationally the superior performance of amorphous CuNi alloys for CO_(2)electrochemical reduction.By integrating machine learning forcefields for efficient structure generation and density functional theory for subsequent structural refinement and property calculations,we reveal the potential of these disordered systems to outperform their crystalline counterparts.Machine learning forcefields can generate a bulk structure containing a mixture of Cu and Ni atoms,resulting in enhanced catalytic performance.Effective screening of the amorphous surfaces is used to identify undercoordinated Cu and Ni sites in the amorphous structure to synergistically promote selective CO production and favor ethanol formation over ethylene via the stabilization of the*COCHO intermediate,resulting in significantly lower Gibbs free energy changes compared to the crystalline counterpart.The varying atomic coordination environments on amorphous surfaces promote both C–C bond formation and subsequent proton-electron transfer,leading to ethanol formation.These findings demonstrate the superior catalytic performance of amorphous CuNi,highlighting its potential for efficient and selective electroreduction of CO_(2).
基金the Deanship of Research and Graduate Studies at King Khalid University,Saudi Arabia,for funding this study through the Large Groups Project(Grant No.RGP2/2/47)the Deanship of Scientific Research at Northern Border University,Arar,KSA for funding this research work through project number NBU-FFR-2025-1902-02。
文摘Cu_(x)Ta_(2-x)O_(5) compositions were investigated for advanced thermoelectric and optical applications,using both simulations and experimental approaches.Density functional theory calculations were performed before the experimental observations to predict the trends of various parameters.Crystal structure analysis confirmed the presence of the orthorhombic Ta_(2)O_(5) phase in all the compositions.The composition and morphology demonstrated impurity-free contents with uniform and crack-free surfaces.Thermoelectric analysis depicted a decrease in Seebeck coefficient from 3.66??V·K^(-1)to 1.91??V·K^(-1)and an increase in the value of specific heat from 0.73 J·K^(-1)·kg^(-1)to 11.6 J·K^(-1)·kg^(-1)upon Cu incorporation in structure.The bandgap was found to reduce from 2.61 to 1.38 e V with Cu-induced electronic states.The real epsilon and static refractive index increased from 3.75 to 4.57 and from 1.93 to 2.11,respectively,with increment in Cu content.The enhanced parameters,focusing on the thermoelectric and optical responses,make these compositions potential candidates for advanced optoelectronic applications.
基金the National Natural Science Foundation of China(5240101142)Yunnan Province basic research project(202401CF070252)+1 种基金the Key R&D plan of Yunnan Province(202303AC100008)the Scientific Researching Fund Projects of Yunnan Provincial Department of Education(2025J0077),which funded this study。
文摘The utilization of solid wastes to prepare Li_(4)SiO_(4) based CO_(2) adsorbents and thermochemical energy storage(TES)materials has recently garnered significant interest.Considering practical application conditions,the influence of CO_(2) concentration and temperature fluctuations on adsorbent performance remains a key research focus.Among various waste materials,waste clay bricks are particularly suitable for Li_(4)SiO_(4) synthesis due to their high SiO_(2) content(60% to 70%),while enabling waste valorization.Furthermore,it has been demonstrated that heteroatoms present in the waste materials positively in-fluence the CO_(2) adsorption performance of Li_(4)SiO_(4)-based adsorbents.In this study,Li_(4)SiO_(4) was syn thesized for the first time directly from waste clay bricks without pretreatment.Comprehensive characterization revealed that the resulting Li_(4)SiO_(4)-based adsorbent exhibits outstanding performance:a high CO_(2) capture capacity(27.9%(mass)),excellent cycling stability,and remarkable thermal energy storage capability(876.4 kJ·kg^(-1)).These superior properties position it as one of the most promising high-temperature adsorbents for simultaneous CO_(2) capture and thermal energy storage(TES)from fossil fuel flue gase.Moreover,the adsorbent maintained excellent stability under fluctuating temper-ature and CO_(2) concentration.Even at 20%(vol)CO_(2) and 500℃,it achieved a high capacity of 25.7%(mass),reaching equilibrium within 15 min.This CO_(2) capture performance is truly impressive.
基金supported by the National Natural Science Foundation of China,Nos.82473334(to LZ),82401629(to XL)the Major Scientific and Technological Achievements Transformation Project of Ningxia Hui Autonomous Region,No.2022CJE09013(to LZ)+4 种基金Mianyang Science and Technology Bureau(Mianyang Science and Technology Program),No.2023ZYDF097(to LZ)NHC Key Laboratory of Nuclear Technology Medical Transformation(Mianyang Central Hospital),No.2023HYX001(to LZ)Spinal Cord Diseases Clinical Medical Center of Yunnan Province,No.2024JSKFKT-16(to BG)the Natural Science Foundation of Sichuan Province,No.2024NSFSC1646(to XL)the China Postdoctoral Science Foundation,Nos.GZC20231811(to XL),2024T170601(to XL)and 2024M76228(to XL).
文摘Neural stem cells(NSCs)have the potential for self-renewal and multidirectional differentiation,and their transplantation has achieved good efficacy in a variety of diseases.However,only 1%-10%of transplanted NSCs survive in the ischemic and hypoxic microenvironment of posthemorrhagic hydrocephalus.^(Sox2)is an important factor for NSCs to maintain proliferation.Therefore,^(Sox2)-overexpressing NSCs(NSC^(Sox2))may be more successful in improving neurological dysfunction after posthemorrhagic hydrocephalus.In this study,human NSC^(Sox2)was transplanted into a posthemorrhagic hydrocephalus mouse model,and retinoic acid was administered to further promote NSC differentiation.The results showed that NSC^(Sox2)attenuated the ventricular enlargement caused by posthemorrhagic hydrocephalus and improved neurological function.NSC^(Sox2)also promoted nerve regeneration,inhibited neuroinflammation and promoted M2 polarization(anti-inflammatory phenotype),thereby reducing cerebrospinal fluid secretion in choroid plexus.These findings suggest that NSC^(Sox2)rescued ventricular enlargement and neurological dysfunction induced by posthemorrhagic hydrocephalus through neural regeneration and modulation of inflammation.
